F0545-0396
TL;DR: F0545-0396 (CAS 681276-15-3) is a chemical compound with molecular formula C35H32BrN3O3S and molecular weight 653.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone
Also Known As: F0545-0396, 1-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-({1-[(3-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)ethan-1-one, 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone, 1-(3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)ethanone
| Molecular Formula | C35H32BrN3O3S |
|---|---|
| Molecular Weight | 653.13 g/mol |
| LogP | 8.24772 |
| Topological Polar Surface Area | 56.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 653.13477 |
| Heavy Atoms | 43 |
| Complexity | 1815.4612 |
Chemical Identifiers
| CAS Number | 681276-15-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)SCC(=O)N4C(CC(=N4)C5=CC=C(C=C5)Br)C6=C(C(=CC=C6)OC)OC |
Product Overview
F0545-0396 (CAS 681276-15-3), with molecular formula C35H32BrN3O3S and molecular weight 653.13 g/mol. IUPAC: 1-[5-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone.
Chemical Property Profile of F0545-0396
Property Insights of F0545-0396
The XLogP value of 8.24772 indicates that F0545-0396 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.06 Ų, F0545-0396 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0545-0396 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0545-0396?
The CAS number of F0545-0396 is 681276-15-3.
What is the molecular formula of F0545-0396?
The molecular formula of F0545-0396 is C35H32BrN3O3S.
What is the molecular weight of F0545-0396?
The molecular weight of F0545-0396 is 653.13 g/mol.
Where can I buy F0545-0396?
You can request a quote for F0545-0396 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0545-0396?
Yes, KEHONG BIO provides custom synthesis services for F0545-0396 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.